4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one

C7H8Cl2N2O2 — CID 13270700

IUPAC4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one
SMILESCCOCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-2-13-4-11-7(12)6(9)5(8)3-10-11/h3H,2,4H2,1H3
InChIKeyJSROLBJYSYVBBP-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.54
Rot. Bonds3

About 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one

4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one (PubChem CID 13270700) has the molecular formula C7H8Cl2N2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one
PubChem CID13270700
Molecular FormulaC7H8Cl2N2O2
Molecular Weight223.06 g/mol
Exact Mass222.00
IUPAC Name4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one
SMILESCCOCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-2-13-4-11-7(12)6(9)5(8)3-10-11/h3H,2,4H2,1H3
InChIKeyJSROLBJYSYVBBP-UHFFFAOYSA-N
XLogP1.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one (CID 13270700) is 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one is CCOCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one?
The InChIKey is JSROLBJYSYVBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2/c1-2-13-4-11-7(12)6(9)5(8)3-10-11/h3H,2,4H2,1H3.
What are the key properties of 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one?
4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one has a molecular weight of 223.06 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(ethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 13270700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).